Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3993666 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL4462514 | 0.80 | — | — | |
| SCHEMBL44897 | 0.76 | — | — | |
| SCHEMBL246902 | 0.76 | — | — | |
| SCHEMBL11671454 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL980613 | 0.68 | BLM (0.36) | — | |
| Hydrochloric Acid SCHEMBL2292307 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL4024103 | 0.64 | — | — | |
| SCHEMBL2204908 | 0.62 | — | — | |
| SCHEMBL7627726 | 0.62 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220409589-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | GENZYME CORP (US) | 2022-12-29 | — | — | US | disclosed |
| US-20210403470-A1 | NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS | WATKINS EDMOND BLAKE (US) | 2021-12-30 | — | — | US | disclosed |
| US-11117893-B2 | Methods for preparation of substituted pyridines and related novel compounds | UNION UNIVERSITY (US) | 2021-09-14 | — | — | US | disclosed |
| US-10632125-B2 | MTH1 inhibitors for treatment of inflammatory and autoimmune conditions | THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) | 2020-04-28 | — | — | US | disclosed |
| US-20200095245-A1 | NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS | UNION UNIVERSITY | 2020-03-26 | — | — | US | disclosed |
| US-10322111-B2 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | GENZYME CORPORATION (US) | 2019-06-18 | — | — | US | disclosed |
| US-10179790-B2 | MTH1 inhibitors for treatment of cancer | THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) | 2019-01-15 | — | — | US | disclosed |
| US-20190000856-A1 | MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS | THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) | 2019-01-03 | — | — | US | disclosed |
| US-10064869-B2 | MTH1 inhibitors for treatment of inflammatory and autoimmune conditions | THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) | 2018-09-04 | — | — | US | disclosed |
| US-20170196873-A1 | MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS | THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) | 2017-07-13 | — | — | US | disclosed |
| US-RE37438-E1 | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. | 2001-11-06 | — | — | US | disclosed |
| CN-1292779-A | Haloamidino amino acid derivatives as nitric oxide synthase inhibitors | SEARLE & CO (US) | 2001-04-25 | — | — | CN | disclosed |
| EP-1062201-A2 | HALOGENATED AMIDINO AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999046240-A2 | HALOGENATED AMIDINO AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1999-09-16 | — | — | WO | disclosed |
| CN-1212704-A | Serine protease inhibitors | AKZO NOBEL NV (NL) | 1999-03-31 | — | — | CN | disclosed |
| US-5866612-A | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. (US) | 1999-02-02 | — | — | US | disclosed |
| EP-0886647-A1 | SERINE PROTEASE INHIBITORS | Akzo Nobel N.V. (NL) | 1998-12-30 | — | — | EP | disclosed |
| EP-0799191-A1 | ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-10-08 | — | — | EP | disclosed |
| WO-1997031937-A1 | SERINE PROTEASE INHIBITORS | AKZO NOBEL N.V. (NL) | 1997-09-04 | — | — | WO | disclosed |
| WO-1996019440-A1 | ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-06-27 | — | — | WO | disclosed |